1,3-Dimethyl-2'-deoxypseudouridine

C11H16N2O5CAS 65358-16-9256.26 g/mol

Open in Covalent MOL file
NONOOHOOH
AlcoholEther

Properties

Molecular formula
C11H16N2O5
Molar mass
256.26 g/mol
Exact mass
256.1059 Da
logP
-1.73Crippen estimate
Polar surface area
93.7 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
2
Stereocentres
R, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
65358-16-9
SMILES
CN1C=C(C(=O)N(C1=O)C)[C@H]2C[C@@H]([C@H](O2)CO)O
InChIKey
VUFZJLBBVTWRKA-DJLDLDEBSA-N
InChI
InChI=1S/C11H16N2O5/c1-12-4-6(10(16)13(2)11(12)17)8-3-7(15)9(5-14)18-8/h4,7-9,14-15H,3,5H2,1-2H3/t7-,8+,9+/m0/s1

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Work with 1,3-Dimethyl-2'-deoxypseudouridine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Dimethylpseudouridine64272-68-063 % similar 2'-Deoxypseudouridine39967-60-746 % similar 3-(3-Amino-3-carboxypropyl)-1-methylpseudouridine52777-29-441 % similar Telbivudine3424-98-441 % similar Thymidine50-89-541 % similar 3-Methyl-5-beta-D-ribofuranosyl-2,4(1H,3H)-pyrimidinedione81691-06-739 % similar N1-Methylpseudouridine13860-38-337 % similar 5-Chloro-2′-deoxyuridine50-90-836 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Edoxudin15176-29-1

Elsewhere

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